8-硝基-4-二氢色原酮 | 90322-49-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 中文名称: 8-硝基-4-二氢色原酮
• 英文名称: 8-nitrochroman-4-one
• 英文别名: 8-Nitro-4-chromanone；8-nitro-2,3-dihydrochromen-4-one
• CAS: 90322-49-9
• 化学式: C₉H₇NO₄
• mdl: MFCD09744048
• 分子量: 193.159
• InChiKey: MXMKEUBEHSMVOG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  72.1
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2932999099

反应信息

• 作为反应物：
  描述：

  8-硝基-4-二氢色原酮 在 palladium on activated charcoal 乙基溴化镁 、 氢气 、 三氟乙酸 作用下， 以 乙醚 、 二氯甲烷 、 乙酸乙酯 、 乙腈 为溶剂， 反应 19.25h， 生成 tert-butyl 4-(8-amino-3,4-dihydro-2H-chromen-4-yl)-1H-imidazole-1-carboxylate
  参考文献：
  名称：

  Synthesis and Structure−Activity Studies on N-[5-(1H-Imidazol-4-yl)-5,6,7,8-tetrahydro-1-naphthalenyl]methanesulfonamide, an Imidazole-Containing α_1A-Adrenoceptor Agonist

  摘要：

  Structure-activity studies were performed on the alpha(1A)-adrenoceptor (AR) selective agonist N-[5-(1H-imidazol-4-yl)-5,6,7,8-tetrahydro-1-naphthalenyl]methanesulfonamide (4). Compounds were evaluated for binding activity at the alpha(1A), alpha(1b), alpha(1d), alpha(2a), and alpha(2B) subtypes. Functional activity in tissues containing the alpha(1A) (rabbit urethra), alpha(1B) (rat spleen), alpha(1D) (rat aorta), and alpha(2A) (rat prostatic vas deferens) was also evaluated. A dog in vivo model simultaneously measuring intraurethral pressure (IUP) and mean arterial pressure (ALAP) was used to assess the uroselectivity of the compounds. Many of the compounds that were highly selective in vitro for the alpha(1A)-AR subtype were also more uroselective in vivo for increasing IUP over MAP than the nonselective alpha(1)-agonists phenylpropanolamine (PPA) (1) and ST-1059 (2, the active metabolite of midodrine), supporting the hypothesis that greater alpha(1A) selectivity would reduce cardiovascular side effects. However, the data also support a prominent role of the alpha(1A)-AR subtype in the control of MAP.

  DOI：

  10.1021/jm030551a
• 作为产物：
  描述：

  硝苯酚 在 氢氧化钾 、 phosphorus pentoxide 、 苯 作用下， 生成 8-硝基-4-二氢色原酮
  参考文献：
  名称：

  Chakravarti; Dutta, Journal of the Indian Chemical Society, 1939, vol. 16, p. 639,644

  摘要：

  DOI：

文献信息

• 4-Imidazole derivatives of benzyl and restricted benzyl sulfonamides, sulfamides, ureas, carbamates, and amides and their use
  申请人：——

  公开号：US20030073850A1

  公开（公告）日：2003-04-17

  Compounds of formula I 1 are useful in treating diseases prevented by or ameliorated with &agr; 1A agonists. Also disclosed are &agr; 1A agonist compositions and a method of activating &agr; 1 adrenoceptors in a mammal.

  公式I的化合物在治疗由&agr; 1A激动剂预防或改善的疾病中很有用。还公开了&agr; 1A激动剂组合物和在哺乳动物中激活&agr; 1肾上腺素受体的方法。
• [EN] ROR-GAMMA MODULATORS AND USES THEREOF<br/>[FR] MODULATEURS DE ROR-GAMMA ET LEURS UTILISATIONS
  申请人：PIRAMAL ENTPR LTD

  公开号：WO2015145371A1

  公开（公告）日：2015-10-01

  The present invention relates to a compound of formula I, or an isotopic form, stereoisomer, a tautomer, a pharmaceutically acceptable salt, a solvate, a polymorph, a prodrug, N-oxide or S-oxide thereof; and processes for their preparation. The invention further relates to pharmaceutical compositions containing the compounds and their use in the treatment of diseases or disorders mediated by RORγ.

  本发明涉及公式I的化合物，或其同位素形式、立体异构体、互变异构体、药学上可接受的盐、溶剂合物、多晶形式、前药、N-氧化物或S-氧化物；以及它们的制备方法。该发明还涉及含有这些化合物的药物组合物，以及它们在治疗由RORγ介导的疾病或紊乱中的用途。
• Structurally-thrifty and visible-absorbing fluorophores
  作者：Xiao Luo、Yan Chen、Yanchun Li、Zhenglong Sun、Weihong Zhu、Xuhong Qian、Youjun Yang

  DOI：10.1016/j.saa.2020.118907

  日期：2021.1

  Fluorophores with a minimal push-pull backbone are actively pursued due to their potentials in biological labelling. Herein a series of structurally-thrifty and visible-absorbing fluorophores (SDXs) were successfully constructed following the D′D-π-A design strategy, in which a secondary donor (D′) was introduced in conjugation with the donor (D) to enhance its electron donating capability. For a very

  具有最小推挽骨架的荧光团由于其在生物标记中的潜力而被积极地追求。本文根据D'D-π-A设计策略成功构建了一系列结构节俭和可见光吸收的荧光团（SDX），其中引入了第二个供体（D'）与供体（D）结合增强其电子捐赠能力。对于非常小的支架，SDX在可见光谱范围（λabs  = 420 nm）中显示出令人惊讶的长波长吸收带，并具有很强的绿色荧光发射（λem  = 530 nm），荧光量子产率高达0.84。值得注意的是，SDX的荧光在氢键溶剂（例如MeOH和H）中淬灭2 O.这种现象使SDX可以用于细胞非氢键键合微环境的成像，如BEAS-2B细胞所示。这些结果证明，D'D-π-A是构建新颖的节俭型荧光团的有力设计策略。
• Indan-1-ol compounds
  申请人：Adir et Compagnie

  公开号：US06153625A1

  公开（公告）日：2000-11-28

  A compound selected from those of formula (I): ##STR1## wherein: R.sub.1, R.sub.2, R.sub.3 and R.sub.4, which may be identical or different, represent hydrogen, halogen, alkyl, alkenyl, alkynyl, hydroxy, alkoxy, trihaloalkyl, or any pair may form a heterocycle, R.sub.5 represents hydrogen, alkyl, or arylalkyl, R.sub.6 represents hydrogen, halogen, alkyl, hydroxy, alkoxy, or trihaloalkyl, A, together with the carbons of the phenyl, represents a heterocycle, their isomers and addition pharmaceutically-acceptable acid or base salts thereof, and medicinal products containing the same which are useful in the treatment of pathologies in which 5HT.sub.1B receptors are involved.

  从公式（I）中选择的化合物：##STR1##其中：R.sub.1，R.sub.2，R.sub.3和R.sub.4，可以相同或不同，表示氢，卤素，烷基，烯基，炔基，羟基，烷氧基，三卤代烷基，或任何一对可以形成杂环，R.sub.5表示氢，烷基或芳基烷基，R.sub.6表示氢，卤素，烷基，羟基，烷氧基或三卤代烷基，A与苯环上的碳一起表示杂环，它们的异构体和相应的药物可接受酸或碱盐，以及含有它们的药物制品，在5HT.sub.1B受体参与的病理治疗中有用。
• Tricyclic 1,2,4-triazine oxides and compositions for therapeutic use in cancer treatments
  申请人：Auckland Uniservices Limited

  公开号：US07989451B2

  公开（公告）日：2011-08-02

  The invention relates to novel tricyclic 1,2,4-triazine-1-oxides and novel tricyclic 1,2,4-triazine-1,4-dioxides of formula I and to related analogues, to their preparation, and to their use as hypoxia-selective drugs and radiosensitizers for cancer therapy, both alone or in combination with radiation and/or other anticancer drugs.

  本发明涉及新型三环1,2,4-三嗪-1-氧化物和新型三环1,2,4-三嗪-1,4-二氧化物的公式I以及相关类似物，涉及它们的制备，以及它们作为缺氧选择性药物和放射增敏剂用于癌症治疗，无论是单独使用还是与放射治疗和/或其他抗癌药物联合使用。